SCHEMBL6589437

SCHEMBL6589437

COc1ccccc1Oc1ccccc1N1CCN(CCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.71
HTR7 P34969 3/20 0.71
SLC6A4 P31645 2/20 0.71
KCNH2 Q12809 2/20 0.71
DRD2 P14416 5/20 0.62
HTR2A P28223 1/20 0.62
HTR6 P50406 1/20 0.62
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6588051 0.97 HTR1A (0.67) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL11820831 0.94 HTR1A (0.79) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL9367741 0.91 HTR1A (0.74) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6592110 0.90 HTR1A (0.68) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6589735 0.89 HTR1A (0.89) HTR1AHTR7SLC6A4KCNH2HTR6
SCHEMBL6591125 0.89 HTR1A (0.72) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6589115 0.89 HTR1A (0.72) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6591974 0.89 HTR1A (0.64) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6588985 0.89 HTR1A (0.72) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL6591451 0.88 HTR1A (0.66) HTR1AHTR7SLC6A4KCNH2DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246816-B1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-03-17 EP claimed
US-6699864-B2 SERATONIN REUPTAKE INHIBITORS POTENTLY BINDING TO THE 5-HT1A RECEPTOR, DOPAMINERGIC AGENTS; ANTIDEPRESSANTS, PSYCHOSIS, ANXIOLYTIC AND ANTIISCHEMIC AGENTS; PANIC ORDER; OBSESSIVE COMPULSIVE DISORDER, IMPULSE CONTROL DISORDER, ALCOHOL ABUSE H. LUNDBECK A/S (DK) 2004-03-02 US claimed
US-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-07-03 US claimed
EP-1246816-B1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-03-17 EP disclosed
US-6699864-B2 SERATONIN REUPTAKE INHIBITORS POTENTLY BINDING TO THE 5-HT1A RECEPTOR, DOPAMINERGIC AGENTS; ANTIDEPRESSANTS, PSYCHOSIS, ANXIOLYTIC AND ANTIISCHEMIC AGENTS; PANIC ORDER; OBSESSIVE COMPULSIVE DISORDER, IMPULSE CONTROL DISORDER, ALCOHOL ABUSE H. LUNDBECK A/S (DK) 2004-03-02 US disclosed
US-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-07-03 US disclosed
EP-1246816-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
EP-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
WO-2001049678-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use HTR5A, HTR1A, HTR1D HTR1A 2/4885HTR7 7/4885SLC6A4 100/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.